2G06
X-ray structure of mouse pyrimidine 5'-nucleotidase type 1, with bound magnesium(II)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-01-03 |
Detector | BRUKER PROTEUM-R |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 |
Unit cell lengths | 134.343, 134.343, 39.152 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 67.170 - 2.250 |
R-factor | 0.158 |
Rwork | 0.155 |
R-free | 0.21930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bdu |
RMSD bond length | 0.017 |
RMSD bond angle | 1.474 |
Data reduction software | SAINT |
Data scaling software | SAINT |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 67.170 | 67.170 | 2.300 |
High resolution limit [Å] | 2.250 | 6.100 | 2.250 |
Rmerge | 0.101 | 0.059 | 0.637 |
Number of reflections | 37523 | ||
<I/σ(I)> | 20.61 | 67.69 | 2.67 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 17.82 | 42.7 | 6.47 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | PROTEIN SOLUTION (10 MG/ML PROTEIN, 0.005 M BIS TRIS, 0.050 M SODIUM CHLORIDE, 0.003 M SODIUM AZIDE, 0.0003 M TCEP, PH 6.0) MIXED IN A 1:1 RATIO WITH THE WELL SOLUTION (20-25% PEG 8K, 0.10 M PIPES PH 6.5) CRYSTALS SOAKED FOR 15 MINUTES IN WELL SOLUTION WITH 0.005 M magnesium chloride, temperature 277K, VAPOR DIFFUSION, HANGING DROP |